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<p>The development of efficient and low-cost electrocatalysts for hydrogen evolution reaction (HER), especially for alkaline water electrolyzers, is one of the key technical bottlenecks to promote the large-scale industrial production of hydrogen energy. Molybdenum disulfide (MoS₂), as a non-noble metal-based catalyst with abundant earth reserves, exhibits excellent HER catalytic performance in acidic media and is regarded as an ideal acidic system HER catalyst. However, it has the problem of high overpotential due to the slow reaction kinetics in alkaline electrolyte, which greatly limits its application in the field of alkaline water electrolysis. In response to this challenge, this study used a one-pot synthesis strategy to successfully prepare a Ni₃S₄-MoS₂ heterostructure catalyst. Abundant heterojunction structures are constructed inside the prepared Ni₃S₄-MoS₂ catalyst, which has been verified by X-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy (HRTEM). HRTEM directly reveals the clear morphology of the interface between Ni₃S₄ and MoS₂, and XPS confirms the element interaction at the heterojunction interface from the chemical state level. Further combination of XPS analysis and density functional theory (DFT) calculations shows that the heterostructure has a significant interfacial electron redistribution phenomenon. This electronic structure regulation has laid a key structural foundation for optimizing the surface reaction energy barrier of the catalyst and improving the HER catalytic performance. In 1&#xa0;M KOH alkaline electrolyte, the Ni₃S₄-MoS₂ heterostructure exhibits excellent HER catalytic performance, when the current density reaches 10&#xa0;mA cm<sup>− 2</sup> the overpotential is only 66, and the corresponding Tafel slope is as low as 57 mV dec<sup>− 1</sup>. After 25&#xa0;h of continuous operation, the catalytic activity did not decrease significantly, showing good long-term stability.</p>

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Study on the electrocatalytic hydrogen evolution performance of Ni3S4-MoS2 heterojunction nanocomposites

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • Qirong Li,
  • Qingzhu Sun,
  • Haibo Wang,
  • Shidan Yuan,
  • Ting Lv,
  • Qicong Liu,
  • Lingyu Meng,
  • Zhiyang Gao,
  • Yongchang Zhu

摘要

The development of efficient and low-cost electrocatalysts for hydrogen evolution reaction (HER), especially for alkaline water electrolyzers, is one of the key technical bottlenecks to promote the large-scale industrial production of hydrogen energy. Molybdenum disulfide (MoS₂), as a non-noble metal-based catalyst with abundant earth reserves, exhibits excellent HER catalytic performance in acidic media and is regarded as an ideal acidic system HER catalyst. However, it has the problem of high overpotential due to the slow reaction kinetics in alkaline electrolyte, which greatly limits its application in the field of alkaline water electrolysis. In response to this challenge, this study used a one-pot synthesis strategy to successfully prepare a Ni₃S₄-MoS₂ heterostructure catalyst. Abundant heterojunction structures are constructed inside the prepared Ni₃S₄-MoS₂ catalyst, which has been verified by X-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy (HRTEM). HRTEM directly reveals the clear morphology of the interface between Ni₃S₄ and MoS₂, and XPS confirms the element interaction at the heterojunction interface from the chemical state level. Further combination of XPS analysis and density functional theory (DFT) calculations shows that the heterostructure has a significant interfacial electron redistribution phenomenon. This electronic structure regulation has laid a key structural foundation for optimizing the surface reaction energy barrier of the catalyst and improving the HER catalytic performance. In 1 M KOH alkaline electrolyte, the Ni₃S₄-MoS₂ heterostructure exhibits excellent HER catalytic performance, when the current density reaches 10 mA cm− 2 the overpotential is only 66, and the corresponding Tafel slope is as low as 57 mV dec− 1. After 25 h of continuous operation, the catalytic activity did not decrease significantly, showing good long-term stability.